4-[(1E)-2-(3-hydroxyphenyl)ethenyl]phenol
PubChem CID: 10171348
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| Compound Synonyms | 63877-76-9, Stilbene-3,4'-diol, 4-[(E)-2-(3-hydroxyphenyl)ethenyl]phenol, (E)-3-(4-Hydroxystyryl)phenol, 3,4'-dihydroxy-trans-stilbene, 3-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol, 4-[(1E)-2-(3-hydroxyphenyl)ethenyl]phenol, 3-[(1E)-2-(4-Hydroxyphenyl)ethenyl]phenol, 4DC9L42B37, 4-[2-(3-Hydroxyphenyl)ethenyl]phenol, 3-((1E)-2-(4-Hydroxyphenyl)ethenyl)phenol, 4-((1E)-2-(3-hydroxyphenyl)ethenyl)phenol, Phenol, 3-((1E)-2-(4-hydroxyphenyl)ethenyl)-, Phenol, 3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-, SCHEMBL720092, SCHEMBL720093, UNII-4DC9L42B37, CHEMBL2230272, (E)-3,4'-STILBENDIOL, UFGKEFGYNRJIGO-SNAWJCMRSA-N, DTXSID701270477, (E)-3,4''-STILBENDIOL, BDBM50140153, (E)-3,4'-(ethene-1,2-diyl)diphenol, EN300-222298, EN300-1725700, 850-856-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CCC2CCCCC2)CC1 |
| Np Classifier Class | Monomeric stilbenes |
| Deep Smiles | Occcccc6))/C=C/cccccc6)O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Stilbenes |
| Scaffold Graph Node Level | C1CCC(CCC2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O2 |
| Scaffold Graph Node Bond Level | C(=Cc1ccccc1)c1ccccc1 |
| Inchi Key | UFGKEFGYNRJIGO-SNAWJCMRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3,4-dihydroxystilbene |
| Esol Class | Soluble |
| Functional Groups | c/C=C/c, cO |
| Compound Name | 4-[(1E)-2-(3-hydroxyphenyl)ethenyl]phenol |
| Exact Mass | 212.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H12O2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10,15-16H/b5-4+ |
| Smiles | C1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Stilbenoids |
- 1. Outgoing r'ship
FOUND_INto/from Hydrangea Macrophylla (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729